#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6p n ASN 2 N 0.00 4.56 0.11 7.83 5.03 -1.26 -4.74 115.26 126.78 1r6p n ASN 2 Ca 0.00 -3.66 0.12 0.00 0.87 0.00 0.00 54.58 51.91 1r6p n ASN 2 Cb 0.00 -0.45 0.16 0.00 -1.02 0.00 0.00 39.78 38.47 1r6p n ASN 2 CO 0.00 0.00 0.00 -0.78 -1.83 0.00 0.00 177.26 174.65 1r6p h ASP 3 N 2.54 0.00 -0.86 6.41 3.58 -2.05 -3.35 116.42 122.70 1r6p h ASP 3 Ca 0.29 -0.09 0.23 0.00 0.42 0.00 0.00 57.03 57.88 1r6p h ASP 3 Cb 1.03 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.03 1r6p h ASP 3 CO 0.81 0.04 0.60 0.16 -2.88 0.00 0.00 179.24 177.97 1r6p h ILE 4 N 0.00 0.62 0.15 2.25 -2.65 -1.99 0.56 117.51 116.44 1r6p h ILE 4 Ca 0.00 -0.05 -0.20 0.00 1.03 0.00 0.00 64.86 65.63 1r6p h ILE 4 Cb 0.86 0.45 0.02 0.00 -2.05 0.00 0.00 36.82 36.10 1r6p h ILE 4 CO 0.00 0.03 -0.89 1.88 0.03 0.00 0.00 178.15 179.20 1r6p h TYR 5 N 0.16 0.62 0.00 0.16 0.05 -1.98 -3.27 116.97 112.70 1r6p h TYR 5 Ca 0.42 -0.44 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1r6p h TYR 5 Cb 1.42 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.13 1r6p h TYR 5 CO -0.00 1.34 0.00 1.63 -1.05 0.00 0.00 178.16 180.07 1r6p n LYS 6 N -4.07 0.12 0.11 4.88 5.02 -0.39 -3.16 118.16 120.67 1r6p n LYS 6 Ca -0.14 0.08 -0.04 0.00 -2.02 0.00 0.00 58.31 56.20 1r6p n LYS 6 Cb 0.85 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 34.46 1r6p n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r6p h ALA 7 N 2.92 0.81 0.16 7.82 0.00 -0.00 -2.62 119.26 128.35 1r6p h ALA 7 Ca 0.00 -0.63 -0.25 0.00 0.00 0.00 0.00 54.91 54.03 1r6p h ALA 7 Cb 0.34 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.05 1r6p h ALA 7 CO 0.00 0.85 -1.18 0.00 0.00 0.00 0.00 179.25 178.92 1r6p h ALA 8 N 1.24 -0.02 0.00 0.00 0.00 -1.69 -3.22 119.26 115.57 1r6p h ALA 8 Ca -0.01 -0.86 -0.03 0.00 0.00 0.00 0.00 54.91 54.01 1r6p h ALA 8 Cb 1.25 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1r6p h ALA 8 CO 0.10 0.60 -0.14 -0.24 0.00 0.00 0.00 179.25 179.57 1r6p h VAL 9 N -0.21 0.76 0.00 0.00 3.04 -1.62 0.18 116.25 118.40 1r6p h VAL 9 Ca -0.22 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 64.90 1r6p h VAL 9 Cb 1.82 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 32.44 1r6p h VAL 9 CO 0.16 0.14 -0.13 1.05 -1.01 0.00 0.00 177.57 177.78 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 4.11 -1.56 -3.33 114.58 117.97 1r6p h GLU 10 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 1r6p h GLU 10 Cb 0.33 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.40 1r6p h GLU 10 CO 0.02 0.00 -0.71 0.00 0.07 0.00 0.00 179.01 178.39 1r6p n GLN 11 N -2.69 0.71 -2.05 1.06 10.64 -0.72 -5.09 117.38 119.24 1r6p n GLN 11 Ca 0.04 -2.46 -0.29 0.00 -1.83 0.00 0.00 57.00 52.46 1r6p n GLN 11 Cb 0.49 -0.78 0.18 0.00 -0.86 0.00 0.00 30.24 29.27 1r6p n GLN 11 CO 0.00 0.00 0.00 -0.48 -1.83 0.00 0.00 177.06 174.75 1r6p s LEU 12 N -1.46 2.77 0.43 2.61 0.05 0.55 -5.00 118.68 118.63 1r6p s LEU 12 Ca 0.33 0.12 0.05 0.00 0.05 0.00 0.00 54.13 54.67 1r6p s LEU 12 Cb 0.34 -2.18 0.01 0.00 -2.05 0.00 0.00 46.19 42.31 1r6p s LEU 12 CO -0.10 -2.63 0.61 0.42 -0.55 0.00 0.00 176.35 174.09 1r6p s THR 13 N -3.78 3.39 0.28 5.48 -4.23 -1.26 -5.01 115.64 110.51 1r6p s THR 13 Ca 0.73 -0.83 0.07 0.00 -1.18 0.00 0.00 61.69 60.47 1r6p s THR 13 Cb -0.04 -3.19 0.01 0.00 1.34 0.00 0.00 72.50 70.62 1r6p s THR 13 CO 0.52 -0.10 1.65 0.44 -0.54 0.00 0.00 174.62 176.59 1r6p h ASP 14 N 0.53 0.22 0.26 3.99 3.32 -2.00 -2.74 116.42 120.01 1r6p h ASP 14 Ca -0.43 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 56.40 1r6p h ASP 14 Cb 1.27 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1r6p h ASP 14 CO 0.51 0.68 -0.44 -0.33 -1.72 0.00 0.00 179.24 177.93 1r6p h GLU 15 N 0.16 0.23 -0.35 3.56 5.08 -1.97 -0.76 114.58 120.53 1r6p h GLU 15 Ca 0.01 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1r6p h GLU 15 Cb 0.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1r6p h GLU 15 CO 0.07 0.63 0.04 0.37 -1.00 0.00 0.00 179.01 179.13 1r6p h GLN 16 N 0.19 0.58 -0.36 2.33 4.15 -1.89 0.14 115.11 120.26 1r6p h GLN 16 Ca 0.01 -0.16 -0.08 0.00 0.77 0.00 0.00 58.65 59.19 1r6p h GLN 16 Cb 0.86 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 1r6p h GLN 16 CO 0.07 0.67 -0.07 0.87 -1.93 0.00 0.00 178.83 178.43 1r6p h LYS 17 N 0.41 0.68 0.00 1.69 1.57 -1.37 -2.87 116.57 116.68 1r6p h LYS 17 Ca 0.10 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 1r6p h LYS 17 Cb 0.38 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1r6p h LYS 17 CO 0.01 0.83 -0.23 -0.91 -0.57 0.00 0.00 179.45 178.59 1r6p h ASN 18 N 0.47 0.00 -0.20 0.86 4.21 -1.01 0.11 115.58 120.02 1r6p h ASN 18 Ca 0.09 0.00 0.04 0.00 1.21 0.00 0.00 56.30 57.64 1r6p h ASN 18 Cb 0.58 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.74 1r6p h ASN 18 CO 0.03 0.23 -0.06 -0.08 -1.29 0.00 0.00 177.43 176.26 1r6p h GLU 19 N 0.00 -0.02 0.14 0.81 4.81 -0.48 0.51 114.58 120.35 1r6p h GLU 19 Ca -0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 1r6p h GLU 19 Cb 0.41 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.81 1r6p h GLU 19 CO 0.03 -0.01 -1.27 0.74 -0.73 0.00 0.00 179.01 177.77 1r6p h PHE 20 N -0.02 0.54 -0.40 0.92 0.04 -1.55 -3.34 116.94 113.13 1r6p h PHE 20 Ca 0.10 -0.39 0.12 0.00 2.80 0.00 0.00 57.97 60.59 1r6p h PHE 20 Cb 0.17 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 1r6p h PHE 20 CO -0.23 1.49 0.29 -0.22 -0.60 0.00 0.00 178.31 179.05 1r6p h LYS 21 N -0.26 0.00 0.39 1.51 1.63 -0.74 0.23 116.57 119.34 1r6p h LYS 21 Ca -0.26 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.52 1r6p h LYS 21 Cb 1.78 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.42 1r6p h LYS 21 CO 0.11 0.00 -0.19 0.00 -3.45 0.00 0.00 179.45 175.92 1r6p h ALA 22 N 1.79 -0.53 -0.21 5.00 0.00 -1.01 0.38 119.26 124.68 1r6p h ALA 22 Ca 0.19 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1r6p h ALA 22 Cb 0.78 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1r6p h ALA 22 CO -0.00 -0.78 -0.34 0.00 0.00 0.00 0.00 179.25 178.13 1r6p h ALA 23 N 0.05 1.03 -0.73 0.00 0.00 -1.49 -2.65 119.26 115.46 1r6p h ALA 23 Ca -0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1r6p h ALA 23 Cb 0.42 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1r6p h ALA 23 CO 0.09 0.59 0.29 0.35 0.00 0.00 0.00 179.25 180.57 1r6p h PHE 24 N 0.38 1.11 -0.40 0.00 3.04 -0.25 -1.52 116.94 119.30 1r6p h PHE 24 Ca 0.04 -0.08 -0.15 0.00 3.98 0.00 0.00 57.97 61.76 1r6p h PHE 24 Cb 0.78 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.95 1r6p h PHE 24 CO 0.02 0.85 -0.32 0.22 -2.02 0.00 0.00 178.31 177.07 1r6p h ASP 25 N 1.05 0.97 -0.46 0.41 1.82 -0.08 0.53 116.42 120.66 1r6p h ASP 25 Ca 0.24 -0.45 -0.13 0.00 -0.39 0.00 0.00 57.03 56.30 1r6p h ASP 25 Cb 0.21 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 1r6p h ASP 25 CO -0.02 1.21 -0.23 0.16 -1.61 0.00 0.00 179.24 178.76 1r6p h ILE 26 N 0.74 1.27 0.13 2.25 3.07 -1.35 -0.51 117.51 123.11 1r6p h ILE 26 Ca 0.07 -1.39 -0.25 0.00 1.55 0.00 0.00 64.86 64.85 1r6p h ILE 26 Cb 0.91 1.14 0.03 0.00 -0.27 0.00 0.00 36.82 38.63 1r6p h ILE 26 CO 0.08 0.48 -1.04 -0.26 -1.05 0.00 0.00 178.15 176.36 1r6p h PHE 27 N 0.84 0.80 -2.31 0.16 0.04 -1.27 -3.34 116.94 111.85 1r6p h PHE 27 Ca 0.11 -0.53 -0.73 0.00 2.80 0.00 0.00 57.97 59.62 1r6p h PHE 27 Cb 0.80 -0.05 -0.33 0.00 2.20 0.00 0.00 35.95 38.57 1r6p h PHE 27 CO 0.05 1.39 0.38 -0.89 -0.60 0.00 0.00 178.31 178.64 1r6p n ILE 28 N -3.96 4.88 -0.03 -0.55 2.08 0.18 -4.74 119.36 117.22 1r6p n ILE 28 Ca -0.14 -5.82 -0.17 0.00 0.56 0.00 0.00 62.75 57.18 1r6p n ILE 28 Cb 0.90 -1.57 -0.13 0.00 -0.75 0.00 0.00 39.64 38.09 1r6p n ILE 28 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 1r6p h GLN 29 N 3.90 0.11 -0.35 0.38 4.15 -1.22 -3.38 115.11 118.71 1r6p h GLN 29 Ca 0.36 -0.19 -0.20 0.00 0.77 0.00 0.00 58.65 59.40 1r6p h GLN 29 Cb 0.42 0.07 -0.12 0.00 0.21 0.00 0.00 27.48 28.06 1r6p h GLN 29 CO 1.06 1.09 -0.16 -3.47 -1.93 0.00 0.00 178.83 175.42 1r6p n ASP 30 N -4.39 2.63 -4.89 -0.69 2.03 -1.26 -5.03 116.55 104.95 1r6p n ASP 30 Ca -0.15 -3.81 -0.29 0.00 0.52 0.00 0.00 54.79 51.06 1r6p n ASP 30 Cb 0.64 -0.62 -0.03 0.00 -0.72 0.00 0.00 41.12 40.39 1r6p n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r6p s ALA 31 N -3.29 3.54 -0.31 -1.67 0.00 -1.26 -5.01 121.76 113.76 1r6p s ALA 31 Ca 0.45 -0.44 0.10 0.00 0.00 0.00 0.00 51.96 52.07 1r6p s ALA 31 Cb 0.41 -2.42 0.46 0.00 0.00 0.00 0.00 23.12 21.57 1r6p s ALA 31 CO -0.01 0.19 1.16 -0.85 0.00 0.00 0.00 175.76 176.25 1r6p n GLU 32 N -0.98 3.20 0.00 0.00 0.00 -1.26 -4.73 120.64 116.86 1r6p n GLU 32 Ca -0.00 -4.08 0.00 0.00 0.00 0.00 0.00 57.16 53.08 1r6p n GLU 32 Cb 0.54 -2.13 0.00 0.00 0.00 0.00 0.00 31.44 29.85 1r6p n GLU 32 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1r6p n ASP 33 N -0.64 0.15 -0.18 -1.84 8.00 -1.26 -5.08 116.55 115.71 1r6p n ASP 33 Ca 0.36 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.86 1r6p n ASP 33 Cb 0.89 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.99 1r6p n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r6p n GLY 34 N 1.85 0.67 3.58 0.44 0.00 -1.26 -5.10 105.19 105.37 1r6p n GLY 34 Ca 0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 1r6p n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r6p s ILE 36 N 0.48 2.28 -0.47 0.00 -5.25 0.29 -4.81 121.20 113.72 1r6p s ILE 36 Ca -0.01 -0.58 -0.21 0.00 -0.99 0.00 0.00 60.65 58.86 1r6p s ILE 36 Cb -0.05 -2.70 0.03 0.00 2.95 0.00 0.00 42.46 42.69 1r6p s ILE 36 CO -0.01 0.00 0.69 -0.55 -1.79 0.00 0.00 174.94 173.28 1r6p s SER 37 N -4.64 6.31 0.24 4.36 0.15 -1.26 -1.77 113.70 117.09 1r6p s SER 37 Ca 0.64 -0.43 -0.05 0.00 0.70 0.00 0.00 55.95 56.81 1r6p s SER 37 Cb -0.07 -2.34 0.42 0.00 -1.71 0.00 0.00 66.02 62.32 1r6p s SER 37 CO 0.43 -0.87 1.76 0.71 1.20 0.00 0.00 173.24 176.47 1r6p h THR 38 N 5.90 0.76 0.00 6.45 1.35 -1.85 0.21 112.91 125.74 1r6p h THR 38 Ca -0.26 -0.19 -0.03 0.00 -0.55 0.00 0.00 66.41 65.38 1r6p h THR 38 Cb 1.09 0.15 -0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1r6p h THR 38 CO 0.94 0.10 -0.12 0.07 -0.25 0.00 0.00 175.52 176.26 1r6p h LYS 39 N 0.56 0.00 -0.55 4.72 2.10 -1.92 -1.50 116.57 119.97 1r6p h LYS 39 Ca 0.40 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.78 1r6p h LYS 39 Cb 0.51 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 31.69 1r6p h LYS 39 CO -0.33 0.12 0.16 0.39 -2.00 0.00 0.00 179.45 177.79 1r6p n GLU 40 N -3.94 2.19 0.18 0.07 1.02 0.57 -4.57 120.64 116.16 1r6p n GLU 40 Ca -0.02 -3.10 0.14 0.00 -0.02 0.00 0.00 57.16 54.15 1r6p n GLU 40 Cb 0.21 -1.95 0.50 0.00 -0.02 0.00 0.00 31.44 30.19 1r6p n GLU 40 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1r6p h LEU 41 N 1.20 0.00 -1.81 -4.62 6.46 0.06 -3.08 115.31 113.52 1r6p h LEU 41 Ca 0.32 0.00 0.15 0.00 -0.12 0.00 0.00 57.88 58.24 1r6p h LEU 41 Cb 2.03 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.93 1r6p h LEU 41 CO 0.60 0.00 0.45 1.23 -0.62 0.00 0.00 178.44 180.10 1r6p h GLY 42 N 2.73 0.32 2.00 3.75 0.00 -1.81 0.72 103.07 110.78 1r6p h GLY 42 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 1r6p h GLY 42 CO 0.00 0.03 -0.34 0.50 0.00 0.00 0.00 176.54 176.73 1r6p h LYS 43 N 0.19 0.00 0.02 4.80 1.79 -1.93 -1.95 116.57 119.48 1r6p h LYS 43 Ca 0.31 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.45 1r6p h LYS 43 Cb 0.96 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.56 1r6p h LYS 43 CO -0.05 0.34 -1.98 1.33 -1.08 0.00 0.00 179.45 178.00 1r6p n VAL 44 N -3.90 1.56 -0.34 0.50 0.24 0.10 -3.97 118.33 112.52 1r6p n VAL 44 Ca -0.02 -0.78 -0.04 0.00 -2.04 0.00 0.00 64.34 61.47 1r6p n VAL 44 Cb 0.40 -0.99 0.09 0.00 -1.47 0.00 0.00 33.84 31.88 1r6p n VAL 44 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 1r6p h MET 45 N 0.01 1.24 -0.11 7.34 -1.53 0.38 -1.11 114.93 121.15 1r6p h MET 45 Ca -0.39 -0.12 -0.04 0.00 -3.44 0.00 0.00 59.70 55.70 1r6p h MET 45 Cb 2.08 -0.26 -0.01 0.00 -0.55 0.00 0.00 31.60 32.86 1r6p h MET 45 CO 0.06 0.88 -0.12 0.07 0.14 0.00 0.00 176.91 177.94 1r6p h ARG 46 N 1.26 0.17 -0.05 0.39 0.11 -0.94 -1.13 114.38 114.19 1r6p h ARG 46 Ca 0.32 -0.04 -0.10 0.00 0.10 0.00 0.00 59.98 60.27 1r6p h ARG 46 Cb -0.03 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.01 1r6p h ARG 46 CO -0.06 0.30 -0.41 0.52 0.10 0.00 0.00 179.97 180.42 1r6p h MET 47 N 0.17 0.10 -0.02 0.08 2.86 -1.35 -2.71 114.93 114.06 1r6p h MET 47 Ca 0.04 -0.05 -0.17 0.00 -2.06 0.00 0.00 59.70 57.46 1r6p h MET 47 Cb 0.32 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1r6p h MET 47 CO 0.02 0.50 -0.76 -0.07 1.06 0.00 0.00 176.91 177.66 1r6p h LEU 48 N 0.09 0.19 0.00 1.22 4.07 -0.58 -3.47 115.31 116.83 1r6p h LEU 48 Ca 0.01 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.83 1r6p h LEU 48 Cb 0.77 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.45 1r6p h LEU 48 CO 0.06 0.88 0.00 0.61 -1.08 0.00 0.00 178.44 178.90 1r6p n GLY 49 N 0.61 1.89 3.57 0.83 0.00 -0.75 -5.12 105.19 106.22 1r6p n GLY 49 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1r6p n GLY 49 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1r6p s GLN 50 N -0.05 0.74 -0.43 1.61 -2.07 -0.78 -5.01 119.66 113.68 1r6p s GLN 50 Ca 0.00 0.99 0.02 0.00 -1.82 0.00 0.00 55.36 54.55 1r6p s GLN 50 Cb 0.00 0.30 0.14 0.00 -1.09 0.00 0.00 33.01 32.35 1r6p s GLN 50 CO 0.00 -0.11 0.23 1.21 -1.32 0.00 0.00 175.29 175.30 1r6p s ASN 51 N 0.72 3.58 0.00 12.60 2.47 -1.26 -2.32 114.94 130.72 1r6p s ASN 51 Ca -0.03 -2.56 0.00 0.00 0.42 0.00 0.00 52.86 50.69 1r6p s ASN 51 Cb -0.05 -0.96 0.00 0.00 -1.45 0.00 0.00 41.25 38.79 1r6p s ASN 51 CO -0.05 -0.27 0.00 -0.81 -3.72 0.00 0.00 177.10 172.25 1r6p n PRO 52 N 3.62 1.54 -3.09 0.43 -0.04 -1.26 -5.09 135.00 131.11 1r6p n PRO 52 Ca 0.09 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.37 1r6p n PRO 52 Cb 0.35 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.83 1r6p n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1r6p s THR 53 N 0.41 2.73 0.23 0.52 -4.23 -1.26 -4.92 115.64 109.12 1r6p s THR 53 Ca 0.00 -1.05 0.15 0.00 -1.18 0.00 0.00 61.69 59.62 1r6p s THR 53 Cb 0.00 -2.78 0.07 0.00 1.34 0.00 0.00 72.50 71.14 1r6p s THR 53 CO 0.00 0.00 1.70 1.55 -0.54 0.00 0.00 174.62 177.33 1r6p h PRO 54 N 0.57 0.00 0.12 3.99 0.13 -1.98 0.22 132.00 135.04 1r6p h PRO 54 Ca -0.38 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.47 1r6p h PRO 54 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1r6p h PRO 54 CO 0.45 0.46 -1.31 0.93 -0.23 0.00 0.00 178.00 178.31 1r6p h GLU 55 N 0.00 0.25 -0.00 0.86 5.08 -1.99 -2.93 114.58 115.84 1r6p h GLU 55 Ca -0.00 -0.43 -0.12 0.00 -1.00 0.00 0.00 59.36 57.80 1r6p h GLU 55 Cb 0.94 0.16 0.01 0.00 0.50 0.00 0.00 28.75 30.36 1r6p h GLU 55 CO 0.06 1.17 -0.48 1.49 -1.00 0.00 0.00 179.01 180.25 1r6p h GLU 56 N 0.07 0.33 -0.58 2.33 4.81 -1.93 -3.20 114.58 116.41 1r6p h GLU 56 Ca -0.16 -0.35 -0.04 0.00 -0.13 0.00 0.00 59.36 58.68 1r6p h GLU 56 Cb 1.97 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 31.43 1r6p h GLU 56 CO 0.19 1.04 0.18 1.37 -0.73 0.00 0.00 179.01 181.06 1r6p h LEU 57 N -0.23 0.80 -1.25 1.64 8.10 -1.09 -2.54 115.31 120.74 1r6p h LEU 57 Ca -0.06 -0.13 0.02 0.00 0.11 0.00 0.00 57.88 57.83 1r6p h LEU 57 Cb 1.20 -0.21 -0.04 0.00 -0.44 0.00 0.00 40.66 41.18 1r6p h LEU 57 CO 0.09 0.76 0.52 1.56 -4.11 0.00 0.00 178.44 177.26 1r6p h GLN 58 N 0.85 0.98 -0.92 0.17 1.08 -1.58 -1.03 115.11 114.65 1r6p h GLN 58 Ca 0.19 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 1r6p h GLN 58 Cb 0.24 -0.22 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 1r6p h GLN 58 CO -0.01 0.65 0.55 0.93 -0.95 0.00 0.00 178.83 179.99 1r6p h GLU 59 N 1.01 1.25 -0.57 1.46 4.39 -1.45 0.06 114.58 120.72 1r6p h GLU 59 Ca 0.30 -0.12 -0.10 0.00 0.34 0.00 0.00 59.36 59.78 1r6p h GLU 59 Cb -0.04 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.33 1r6p h GLU 59 CO -0.08 0.88 -0.03 0.52 -1.16 0.00 0.00 179.01 179.14 1r6p h MET 60 N 1.27 1.02 0.39 2.33 2.86 -1.22 -2.49 114.93 119.10 1r6p h MET 60 Ca 0.33 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1r6p h MET 60 Cb -0.04 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.53 1r6p h MET 60 CO -0.06 1.02 -0.19 0.82 1.06 0.00 0.00 176.91 179.56 1r6p h ILE 61 N 0.93 0.62 -0.88 -1.22 1.08 -0.51 -0.51 117.51 117.01 1r6p h ILE 61 Ca 0.16 -0.19 0.18 0.00 -0.39 0.00 0.00 64.86 64.62 1r6p h ILE 61 Cb 0.58 0.71 -0.07 0.00 -3.07 0.00 0.00 36.82 34.97 1r6p h ILE 61 CO 0.03 0.04 0.58 -0.78 -0.69 0.00 0.00 178.15 177.33 1r6p h ASP 62 N -0.64 0.47 0.28 1.72 3.58 -0.97 0.59 116.42 121.46 1r6p h ASP 62 Ca -0.05 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 1r6p h ASP 62 Cb 0.47 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.47 1r6p h ASP 62 CO 0.09 0.21 -0.14 -0.33 -2.88 0.00 0.00 179.24 176.19 1r6p h GLU 63 N 0.48 -0.37 -0.64 0.28 5.08 -1.13 -3.34 114.58 114.94 1r6p h GLU 63 Ca 0.46 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.78 1r6p h GLU 63 Cb 1.02 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 1r6p h GLU 63 CO -0.18 -0.07 0.15 -0.24 -1.00 0.00 0.00 179.01 177.66 1r6p h VAL 64 N -0.99 1.26 -2.69 3.13 3.04 -0.73 -3.40 116.25 115.87 1r6p h VAL 64 Ca -0.04 -0.95 -0.55 0.00 -1.01 0.00 0.00 66.70 64.15 1r6p h VAL 64 Cb 0.47 0.64 -0.04 0.00 -2.01 0.00 0.00 31.29 30.34 1r6p h VAL 64 CO 0.06 0.36 1.21 -0.62 -1.01 0.00 0.00 177.57 177.57 1r6p s ASP 65 N -6.36 5.90 0.12 3.17 -1.08 0.20 -4.87 116.67 113.75 1r6p s ASP 65 Ca -0.12 0.79 -0.19 0.00 -0.52 0.00 0.00 52.55 52.50 1r6p s ASP 65 Cb 0.14 -2.53 -0.06 0.00 -1.46 0.00 0.00 42.92 39.00 1r6p s ASP 65 CO 0.83 -1.79 1.75 -0.33 0.52 0.00 0.00 175.17 176.15 1r6p h GLU 66 N 12.48 0.31 0.23 4.34 5.08 -1.83 -3.16 114.58 132.02 1r6p h GLU 66 Ca -0.29 -0.03 -0.34 0.00 -1.00 0.00 0.00 59.36 57.70 1r6p h GLU 66 Cb 1.14 -0.06 0.03 0.00 0.50 0.00 0.00 28.75 30.35 1r6p h GLU 66 CO 1.11 0.25 -1.53 0.38 -1.00 0.00 0.00 179.01 178.22 1r6p h ASP 67 N 0.28 0.75 -2.71 1.42 2.03 -1.93 -3.49 116.42 112.78 1r6p h ASP 67 Ca 0.08 -0.87 -0.08 0.00 -0.73 0.00 0.00 57.03 55.43 1r6p h ASP 67 Cb 0.02 -0.24 0.04 0.00 -0.83 0.00 0.00 39.33 38.31 1r6p h ASP 67 CO -0.02 1.70 -0.18 0.61 -1.03 0.00 0.00 179.24 180.32 1r6p n GLY 68 N 1.74 0.33 0.12 7.15 0.00 -1.20 -4.96 105.19 108.38 1r6p n GLY 68 Ca -0.18 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.60 1r6p n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r6p h SER 69 N -0.51 0.00 0.00 1.61 4.64 -1.94 -3.47 113.55 113.87 1r6p h SER 69 Ca -0.14 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1r6p h SER 69 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1r6p h SER 69 CO 0.13 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.70 1r6p n GLY 70 N 1.28 0.92 2.86 -0.77 0.00 -1.26 -5.08 105.19 103.15 1r6p n GLY 70 Ca 0.05 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1r6p n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r6p s THR 71 N -2.00 -0.08 -0.30 2.61 -4.23 -1.26 -2.63 115.64 107.75 1r6p s THR 71 Ca 0.00 0.22 -0.20 0.00 -1.18 0.00 0.00 61.69 60.53 1r6p s THR 71 Cb 0.00 -0.20 -0.01 0.00 1.34 0.00 0.00 72.50 73.63 1r6p s THR 71 CO 0.00 0.09 0.63 -0.69 -0.54 0.00 0.00 174.62 174.11 1r6p s VAL 72 N 1.34 4.94 0.71 2.29 1.01 -0.73 -4.81 120.40 125.15 1r6p s VAL 72 Ca -0.07 0.90 -0.10 0.00 0.00 0.00 0.00 61.98 62.71 1r6p s VAL 72 Cb -0.12 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.30 1r6p s VAL 72 CO -0.05 -0.11 1.08 -1.81 0.00 0.00 0.00 175.10 174.20 1r6p s ASP 73 N 1.61 5.23 0.44 3.32 1.01 -1.26 -0.54 116.67 126.47 1r6p s ASP 73 Ca 0.25 0.95 0.11 0.00 0.71 0.00 0.00 52.55 54.57 1r6p s ASP 73 Cb -0.15 -1.70 0.99 0.00 1.01 0.00 0.00 42.92 43.07 1r6p s ASP 73 CO 0.11 -1.43 2.04 0.15 0.21 0.00 0.00 175.17 176.25 1r6p h PHE 74 N -0.66 0.40 -0.33 4.23 3.57 -1.98 0.66 116.94 122.84 1r6p h PHE 74 Ca -0.45 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 60.99 1r6p h PHE 74 Cb 1.27 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 1r6p h PHE 74 CO 0.45 0.23 -0.05 -0.44 -2.23 0.00 0.00 178.31 176.27 1r6p h ASP 75 N 0.42 0.62 0.72 0.41 3.32 -1.92 -2.12 116.42 117.87 1r6p h ASP 75 Ca 0.18 -0.35 -0.10 0.00 0.02 0.00 0.00 57.03 56.78 1r6p h ASP 75 Cb 0.18 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1r6p h ASP 75 CO -0.04 0.82 -0.50 -0.33 -1.72 0.00 0.00 179.24 177.47 1r6p h GLU 76 N 0.41 0.00 0.07 3.56 5.08 -1.61 -2.00 114.58 120.10 1r6p h GLU 76 Ca 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1r6p h GLU 76 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1r6p h GLU 76 CO 0.03 0.50 -0.03 0.35 -1.00 0.00 0.00 179.01 178.85 1r6p h PHE 77 N 0.00 -0.09 0.00 4.33 3.57 0.55 -1.93 116.94 123.37 1r6p h PHE 77 Ca -0.00 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 1r6p h PHE 77 Cb 0.99 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 1r6p h PHE 77 CO 0.00 0.11 -0.53 -0.07 -2.23 0.00 0.00 178.31 175.59 1r6p h LEU 78 N -0.27 0.00 -0.29 0.59 4.07 -1.40 -3.14 115.31 114.86 1r6p h LEU 78 Ca -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1r6p h LEU 78 Cb 0.23 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 1r6p h LEU 78 CO 0.02 0.53 0.16 0.58 -1.08 0.00 0.00 178.44 178.65 1r6p h VAL 79 N 0.00 1.12 -1.22 1.22 2.07 -1.18 -2.32 116.25 115.94 1r6p h VAL 79 Ca -0.01 -0.32 0.35 0.00 0.82 0.00 0.00 66.70 67.55 1r6p h VAL 79 Cb 1.02 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 1r6p h VAL 79 CO 0.07 0.12 0.88 -0.03 0.02 0.00 0.00 177.57 178.63 1r6p h MET 80 N 0.36 0.01 0.37 1.57 -1.53 -1.30 0.65 114.93 115.06 1r6p h MET 80 Ca 0.10 -0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.35 1r6p h MET 80 Cb 0.05 -0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.11 1r6p h MET 80 CO -0.02 0.01 -0.18 1.98 0.14 0.00 0.00 176.91 178.84 1r6p h MET 81 N 0.01 -0.48 0.00 0.39 -1.53 -1.54 -2.98 114.93 108.81 1r6p h MET 81 Ca 0.59 0.03 -0.05 0.00 -3.44 0.00 0.00 59.70 56.83 1r6p h MET 81 Cb 2.32 0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 33.47 1r6p h MET 81 CO -0.02 -0.17 -0.25 -0.39 0.14 0.00 0.00 176.91 176.22 1r6p h VAL 82 N -0.78 1.00 0.00 -5.77 -1.51 -1.21 -2.10 116.25 105.88 1r6p h VAL 82 Ca -0.05 -0.90 -0.00 0.00 -1.23 0.00 0.00 66.70 64.52 1r6p h VAL 82 Cb 0.52 1.51 -0.00 0.00 -2.13 0.00 0.00 31.29 31.19 1r6p h VAL 82 CO 0.08 0.24 -0.01 0.03 -1.23 0.00 0.00 177.57 176.68 1r6p h ARG 83 N 0.00 0.00 -0.03 5.19 3.08 -0.81 0.17 114.38 121.97 1r6p h ARG 83 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1r6p h ARG 83 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1r6p h ARG 83 CO 0.03 0.01 -0.50 0.00 -1.07 0.00 0.00 179.97 178.45 1r6p n MET 85 N -3.95 0.49 -3.27 0.00 0.00 -0.30 -4.00 117.12 106.09 1r6p n MET 85 Ca -0.02 0.50 -0.30 0.00 -0.00 0.00 0.00 57.70 57.89 1r6p n MET 85 Cb 0.52 -1.68 -0.04 0.00 0.00 0.00 0.00 33.22 32.03 1r6p n MET 85 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1r6p s LYS 86 N -2.34 3.71 -0.53 2.12 2.20 -0.11 -4.24 119.74 120.55 1r6p s LYS 86 Ca -0.21 0.16 -0.01 0.00 -0.36 0.00 0.00 55.97 55.56 1r6p s LYS 86 Cb 0.04 -2.60 -0.01 0.00 -1.51 0.00 0.00 37.83 33.75 1r6p s LYS 86 CO 0.34 0.20 0.44 -3.47 -0.36 0.00 0.00 175.35 172.50 1r6p n ASP 87 N -0.78 -2.42 -1.37 1.43 2.03 -1.26 -4.35 116.55 109.84 1r6p n ASP 87 Ca -0.00 -0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.02 1r6p n ASP 87 Cb 0.53 -2.59 0.00 0.00 -0.72 0.00 0.00 41.12 38.35 1r6p n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1r6p n ASP 88 N -2.02 -6.03 -0.24 1.67 2.03 -1.26 -4.95 116.55 105.75 1r6p n ASP 88 Ca -0.11 0.79 0.15 0.00 0.52 0.00 0.00 54.79 56.14 1r6p n ASP 88 Cb 0.57 -3.26 0.74 0.00 -0.72 0.00 0.00 41.12 38.45 1r6p n ASP 88 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08